SCHEMBL20159097

SCHEMBL20159097

NN1Cc2cncnc2C1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.37
FAP Q12884 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
HDAC1 Q13547 1/20 0.36
NAMPT P43490 2/20 0.32
PIK3CA P42336 1/20 0.30
MTOR P42345 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18630001 0.82 DPP4 (0.33) DPP4FAPDPP8DPP9HDAC1
SCHEMBL13654392 0.82 PIK3CA (0.38) DPP4FAPDPP8DPP9HDAC1
SCHEMBL256350 0.77 CYP3A4 (0.37) DPP4FAPDPP8DPP9HDAC1
SCHEMBL28642560 0.75 HDAC1 (0.36) DPP4FAPDPP8DPP9HDAC1
SCHEMBL4753742 0.72 HDAC1 (0.48) DPP4FAPDPP8DPP9HDAC1
SCHEMBL29710053 0.71 CTSL (0.41) DPP4FAPDPP8DPP9HDAC1
SCHEMBL30838602 0.71 HDAC1 (0.47) DPP4FAPDPP8DPP9HDAC1
SCHEMBL13322627 0.71 DPP4 (0.35) DPP4FAPDPP8DPP9HDAC1
SCHEMBL8217044 0.71 NAMPT (0.37) DPP4FAPDPP8DPP9HDAC1
SCHEMBL1721216 0.69 HDAC1 (0.46) DPP4FAPDPP8DPP9HDAC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018086703-A1 DIHYDROPYRIDAZINONES SUBSTITUTED WITH PHENYLUREAS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-17 WO disclosed